N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

C19H19F3N8O — CID 170642342

IUPACN-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(N[C@@H]2CCN(C)CC2(F)F)nn2cc(F)c(-c3cnc4nccn4c3)c12
InChIInChI=1S/C19H19F3N8O/c1-28-5-3-13(19(21,22)10-28)25-17-26-16(31-2)15-14(12(20)9-30(15)27-17)11-7-24-18-23-4-6-29(18)8-11/h4,6-9,13H,3,5,10H2,1-2H3,(H,25,27)/t13-/m1/s1
InChIKeyIBPNLOFLWRRFTD-CYBMUJFWSA-N
MW432.41 g/mol
LogP2.34
Rot. Bonds4

About N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170642342) has the molecular formula C19H19F3N8O and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170642342
Molecular FormulaC19H19F3N8O
Molecular Weight432.41 g/mol
Exact Mass432.16
IUPAC NameN-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(N[C@@H]2CCN(C)CC2(F)F)nn2cc(F)c(-c3cnc4nccn4c3)c12
InChIInChI=1S/C19H19F3N8O/c1-28-5-3-13(19(21,22)10-28)25-17-26-16(31-2)15-14(12(20)9-30(15)27-17)11-7-24-18-23-4-6-29(18)8-11/h4,6-9,13H,3,5,10H2,1-2H3,(H,25,27)/t13-/m1/s1
InChIKeyIBPNLOFLWRRFTD-CYBMUJFWSA-N
XLogP2.34
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657264
5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803733
N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-fluoro-5-[3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803893
5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803855
N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-5-[3-(3-fluoropropyl)benzotriazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803470
5-[3-(2,2-difluoroethyl)-7-fluorobenzimidazol-5-yl]-N-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803866
N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642705
N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657515
5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-N-[(4R)-3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170643292
cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone
CID 177156880
N-(3,3-difluoro-1-methylpiperidin-4-yl)-5-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803662
6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642635

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170642342) is N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1nc(N[C@@H]2CCN(C)CC2(F)F)nn2cc(F)c(-c3cnc4nccn4c3)c12.
What is the InChIKey of N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is IBPNLOFLWRRFTD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19F3N8O/c1-28-5-3-13(19(21,22)10-28)25-17-26-16(31-2)15-14(12(20)9-30(15)27-17)11-7-24-18-23-4-6-29(18)8-11/h4,6-9,13H,3,5,10H2,1-2H3,(H,25,27)/t13-/m1/s1.
What are the key properties of N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 432.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170642342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).